1-(1-benzothiophen-7-yl)-2-(3,5-difluorophenyl)ethanol

C16H12F2OS — CID 81152861

IUPAC1-(1-benzothiophen-7-yl)-2-(3,5-difluorophenyl)ethanol
SMILESOC(Cc1cc(F)cc(F)c1)c1cccc2ccsc12
InChIInChI=1S/C16H12F2OS/c17-12-6-10(7-13(18)9-12)8-15(19)14-3-1-2-11-4-5-20-16(11)14/h1-7,9,15,19H,8H2
InChIKeyXHGCTDUNVZZLNA-UHFFFAOYSA-N
MW290.33 g/mol
LogP4.46
Rot. Bonds3

About 1-(1-benzothiophen-7-yl)-2-(3,5-difluorophenyl)ethanol

1-(1-benzothiophen-7-yl)-2-(3,5-difluorophenyl)ethanol (PubChem CID 81152861) has the molecular formula C16H12F2OS and a molecular weight of 290.33 g/mol. Its IUPAC name is 1-(1-benzothiophen-7-yl)-2-(3,5-difluorophenyl)ethanol.

Molecular Properties

Compound Name1-(1-benzothiophen-7-yl)-2-(3,5-difluorophenyl)ethanol
PubChem CID81152861
Molecular FormulaC16H12F2OS
Molecular Weight290.33 g/mol
Exact Mass290.06
IUPAC Name1-(1-benzothiophen-7-yl)-2-(3,5-difluorophenyl)ethanol
SMILESOC(Cc1cc(F)cc(F)c1)c1cccc2ccsc12
InChIInChI=1S/C16H12F2OS/c17-12-6-10(7-13(18)9-12)8-15(19)14-3-1-2-11-4-5-20-16(11)14/h1-7,9,15,19H,8H2
InChIKeyXHGCTDUNVZZLNA-UHFFFAOYSA-N
XLogP4.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(1-benzothiophen-7-yl)-2-(3,5-difluorophenyl)ethyl]hydrazine
CID 105206637
1-(1-benzothiophen-7-yl)-2-pyridin-3-ylethanol
CID 81154090
1-benzothiophen-7-yl-(2,5-difluorophenyl)methanol
CID 81142378
1-benzothiophen-7-yl-(2,4-difluorophenyl)methanol
CID 81141862
1-benzothiophen-7-yl-(3-bromo-5-fluorophenyl)methanol
CID 81154206
1-(1-benzothiophen-7-yl)-2-(tert-butylamino)ethanol
CID 81146470
1-(1-benzothiophen-7-yl)-3-(4-methylphenyl)propan-1-ol
CID 105119163
1-(1-benzothiophen-7-yl)-2-phenoxyethanol
CID 81152772
1-(1-benzothiophen-7-yl)-2-cyclopentylethanol
CID 115827369
1-(1-benzothiophen-7-yl)-2-(cyclopropylamino)ethanol
CID 81146469
2-(3,5-difluorophenyl)-1-isoquinolin-5-ylethanol
CID 62813513
1-benzothiophen-7-yl-(4-bromo-2-fluorophenyl)methanol
CID 81142904

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-7-yl)-2-(3,5-difluorophenyl)ethanol?
The IUPAC name of 1-(1-benzothiophen-7-yl)-2-(3,5-difluorophenyl)ethanol (CID 81152861) is 1-(1-benzothiophen-7-yl)-2-(3,5-difluorophenyl)ethanol.
What is the SMILES notation for 1-(1-benzothiophen-7-yl)-2-(3,5-difluorophenyl)ethanol?
The canonical SMILES for 1-(1-benzothiophen-7-yl)-2-(3,5-difluorophenyl)ethanol is OC(Cc1cc(F)cc(F)c1)c1cccc2ccsc12.
What is the InChIKey of 1-(1-benzothiophen-7-yl)-2-(3,5-difluorophenyl)ethanol?
The InChIKey is XHGCTDUNVZZLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2OS/c17-12-6-10(7-13(18)9-12)8-15(19)14-3-1-2-11-4-5-20-16(11)14/h1-7,9,15,19H,8H2.
What are the key properties of 1-(1-benzothiophen-7-yl)-2-(3,5-difluorophenyl)ethanol?
1-(1-benzothiophen-7-yl)-2-(3,5-difluorophenyl)ethanol has a molecular weight of 290.33 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-7-yl)-2-(3,5-difluorophenyl)ethanol is sourced from PubChem (CID 81152861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).